SCHEMBL8846028

SCHEMBL8846028

O=C1c2c(F)cc(F)c(F)c2C(=O)N1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA1A P0DMV8 1/20 0.45
PABPC1 P11940 1/20 0.45
ESR1 P03372 1/20 0.41
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MGLL Q99685 1/20 0.39
POLB P06746 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
GAA P10253 2/20 0.38
CES2 O00748 1/20 0.37
BCHE P06276 1/20 0.37
CES1 P23141 1/20 0.37
GRK5 P34947 1/20 0.36
TYRO3 Q06418 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
NR1H3 Q13133 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2550420 0.83 HSPA1A (0.52) HSPA1APABPC1ESR1ALDH1A1NPSR1
SCHEMBL28086894 0.73 ESR1 (0.59) HSPA1APABPC1ESR1ALDH1A1NPSR1
SCHEMBL29710393 0.73 ESR1 (0.59) HSPA1APABPC1ESR1ALDH1A1NPSR1
SCHEMBL12748802 0.73 HSPA1A (0.46) HSPA1APABPC1ESR1ALDH1A1NPSR1
SCHEMBL10834888 0.72 MGLL (0.52) HSPA1APABPC1ESR1ALDH1A1NPSR1
SCHEMBL4319648 0.71 HSPA1A (0.67) HSPA1APABPC1ALDH1A1POLBGAA
SCHEMBL7941692 0.71 HSPA1A (0.41) HSPA1APABPC1ALDH1A1NPSR1POLB
SCHEMBL7940168 0.71 ALDH1A1 (0.32) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL16280099 0.71 MGLL (0.62) HSPA1APABPC1ESR1ALDH1A1NPSR1
SCHEMBL27622789 0.70 HSP90AA1 (0.42) HSPA1APABPC1ESR1ALDH1A1NPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0525066-B1 PREPARATION OF 3,4,6-TRIFLUOROPHTHALIC ACID OCCIDENTAL CHEM CO (US) 1997-06-18 EP claimed
US-5596104-A Preparation of 3,4,6-trifluorophthalic acid OCCIDENTAL CHEMICAL CORPORATION (US) 1997-01-21 US claimed
EP-0525066-A4 PREPARATION OF 3,4,6-TRIFLUOROPHTHALIC ACID 1993-03-17 EP claimed
EP-0525066-A1 PREPARATION OF 3,4,6-TRIFLUOROPHTHALIC ACID. OCCIDENTAL CHEM CO (US) 1993-02-03 EP claimed
WO-1991016308-A1 PREPARATION OF 3,4,6-TRIFLUOROPHTHALIC ACID OCCIDENTAL CHEMICAL CORPORATION (US) 1991-10-31 WO claimed
EP-0563986-B1 Process for selective hydrodefluorination OCCIDENTAL CHEM CO (US) 1997-09-03 EP disclosed
EP-0525066-B1 PREPARATION OF 3,4,6-TRIFLUOROPHTHALIC ACID OCCIDENTAL CHEM CO (US) 1997-06-18 EP disclosed
US-5596104-A Preparation of 3,4,6-trifluorophthalic acid OCCIDENTAL CHEMICAL CORPORATION (US) 1997-01-21 US disclosed
US-5294738-A Hydrolysis of imide and hydrodefluorination OCCIDENTAL CHEMICAL CORPORATION (US) 1994-03-15 US disclosed
EP-0563986-A2 Process for selective hydrodefluorination Occidental Chemical Corporation (US) 1993-10-06 EP disclosed
EP-0525066-A4 PREPARATION OF 3,4,6-TRIFLUOROPHTHALIC ACID 1993-03-17 EP disclosed
EP-0525066-A1 PREPARATION OF 3,4,6-TRIFLUOROPHTHALIC ACID. OCCIDENTAL CHEM CO (US) 1993-02-03 EP disclosed
WO-1991016308-A1 PREPARATION OF 3,4,6-TRIFLUOROPHTHALIC ACID OCCIDENTAL CHEMICAL CORPORATION (US) 1991-10-31 WO disclosed